<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:44 UTC</creation_date>
  <update_date>2015-07-20 22:59:42 UTC</update_date>
  <accession>FDB013487</accession>
  <name>Zinc dithionite</name>
  <description>Food contaminant arising from its use as a packaging additive</description>
  <synonyms>
    <synonym>Dithionous acid, zinc salt (1:1)</synonym>
    <synonym>Tetrakis(monothiosulfato(2-))di-zincate(4-)</synonym>
    <synonym>Zinc dithionite or zinc hydrosulfite</synonym>
    <synonym>Zinc dithionite or zinc hydrosulfite [UN1931] [Class 9]</synonym>
    <synonym>Zinc hydrosulfite</synonym>
    <synonym>Zinc hyposulfite</synonym>
    <synonym>Zincate(4-), tetrakis(monothiosulfato(2-))di-</synonym>
  </synonyms>
  <chemical_formula>O4S2Zn</chemical_formula>
  <average_molecular_weight>193.537</average_molecular_weight>
  <monisotopic_moleculate_weight>191.852946446</monisotopic_moleculate_weight>
  <iupac_name>zinc(2+) ion sulfinatosulfinate</iupac_name>
  <traditional_iupac>zinc(2+) ion dithionite</traditional_iupac>
  <cas_registry_number>7779-86-4</cas_registry_number>
  <smiles>[Zn++].[O-]S(=O)S([O-])=O</smiles>
  <inchi>InChI=1S/H2O4S2.Zn/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);/q;+2/p-2</inchi>
  <inchikey>PENRVBJTRIYHOA-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as transition metal dithionites. These are inorganic compounds in which the largest oxoanion is dithionite, and in which the heaviest atom not in an oxoanion is a transition metal.</description>
    <direct_parent>Transition metal dithionites</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Transition metal oxoanionic compounds</class>
    <sub_class>Transition metal dithionites</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
      <alternative_parent>Inorganic salts</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Transition metal dithionite</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>zinc(2+) ion sulfinatosulfinate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>193.537</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>191.852946446</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Zn++].[O-]S(=O)S([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>O4S2Zn</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/H2O4S2.Zn/c1-5(2)6(3)4;/h(H,1,2)(H,3,4);/q;+2/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>PENRVBJTRIYHOA-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>80.26</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>17.28</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>8.41</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>14684</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>298453</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>298454</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>298455</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB34906</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce3011b940&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
